SCHEMBL17090184

SCHEMBL17090184

CC(C)S(=O)(=O)N[C@H]1CC[C@H](CNc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.39
NPY5R Q15761 12/20 0.38
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
HTT P42858 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13565162 1.00 USP30 (0.39) USP30NPY5RKDM4ELMNAPDE3B
SCHEMBL13564866 0.90 KDM4E (0.37) NPY5RKDM4ELMNA
SCHEMBL17090019 0.90 KDM4E (0.37) NPY5RKDM4ELMNA
SCHEMBL13439095 0.89 NPY5R (0.40) NPY5RKDM4ELMNA
SCHEMBL11941125 0.89 NPY5R (0.40) NPY5RKDM4ELMNA
SCHEMBL11935386 0.89 NPY5R (0.40) NPY5RKDM4ELMNA
SCHEMBL13565030 0.88 USP30 (0.39) USP30KDM4ELMNAPDE3BPDE3A
SCHEMBL17090016 0.87 NPY5R (0.37) NPY5R
SCHEMBL13565567 0.87 NPY5R (0.37) NPY5R
SCHEMBL17090168 0.84 MAPT (0.42) NPY5R

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139518-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-09-22 US disclosed